UCSF

ZINC39849349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 12.42 -75.97 1 6 0 78 422.525 9
Lo Low (pH 4.5-6) 3.64 11.5 -46.56 2 6 1 75 423.533 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )